2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile

C16H19FN2 — CID 78997474

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H19FN2/c17-14-4-3-5-15(13(14)12-18)19-10-8-16(9-11-19)6-1-2-7-16/h3-5H,1-2,6-11H2
InChIKeyPPWLVHSVAXPLFE-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.86
Rot. Bonds1

About 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile

2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile (PubChem CID 78997474) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile
PubChem CID78997474
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H19FN2/c17-14-4-3-5-15(13(14)12-18)19-10-8-16(9-11-19)6-1-2-7-16/h3-5H,1-2,6-11H2
InChIKeyPPWLVHSVAXPLFE-UHFFFAOYSA-N
XLogP3.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile (CID 78997474) is 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile is N#Cc1c(F)cccc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile?
The InChIKey is PPWLVHSVAXPLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-14-4-3-5-15(13(14)12-18)19-10-8-16(9-11-19)6-1-2-7-16/h3-5H,1-2,6-11H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile?
2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile has a molecular weight of 258.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-6-fluorobenzonitrile is sourced from PubChem (CID 78997474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).